SCHEMBL4816420

SCHEMBL4816420

COc1ccc(C(=O)NC(CSCc2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.49
PPARG P37231 4/20 0.49
ACE P12821 4/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
C3AR1 Q16581 1/20 0.45
ICMT O60725 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
PPARD Q03181 2/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
CA2 P00918 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3862983 1.00 PPARA (0.49) PPARAPPARGACENPC1RAB9A
SCHEMBL3863460 0.92 C3AR1 (0.48) PPARAPPARGACEC3AR1ICMT
SCHEMBL4818632 0.92 C3AR1 (0.48) PPARAPPARGACEC3AR1ICMT
SCHEMBL4822498 0.91 C3AR1 (0.46) PPARAPPARGACEC3AR1ICMT
SCHEMBL4819714 0.89 TDP1 (0.46) PPARAPPARGACEC3AR1ICMT
SCHEMBL3862214 0.89 TDP1 (0.46) PPARAPPARGACEC3AR1ICMT
SCHEMBL4819529 0.87 ACE (0.46) PPARAPPARGACEC3AR1ICMT
SCHEMBL4819526 0.87 ACE (0.46) PPARAPPARGACEC3AR1ICMT
SCHEMBL3869537 0.86 PPARA (0.48) PPARAPPARGACENPC1RAB9A
SCHEMBL4825094 0.86 PPARA (0.48) PPARAPPARGACENPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO PPARA 406/4885PPARG 448/4885ACE 1006/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.